3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane

C12H22O2 — CID 91462397

IUPAC3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane
SMILESC=CCC1(C)OC(C(C)C)CC1OC
InChIInChI=1S/C12H22O2/c1-6-7-12(4)11(13-5)8-10(14-12)9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKeyNYHAGVHZQSZKGK-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.78
Rot. Bonds4

About 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane

3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane (PubChem CID 91462397) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane
PubChem CID91462397
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane
SMILESC=CCC1(C)OC(C(C)C)CC1OC
InChIInChI=1S/C12H22O2/c1-6-7-12(4)11(13-5)8-10(14-12)9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKeyNYHAGVHZQSZKGK-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane?
The IUPAC name of 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane (CID 91462397) is 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane.
What is the SMILES notation for 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane?
The canonical SMILES for 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane is C=CCC1(C)OC(C(C)C)CC1OC.
What is the InChIKey of 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane?
The InChIKey is NYHAGVHZQSZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-7-12(4)11(13-5)8-10(14-12)9(2)3/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane?
3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane has a molecular weight of 198.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane is sourced from PubChem (CID 91462397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).